N-[(2,3-dichloro-4-fluorophenyl)methyl]-4,5,6,7-tetrahydro-1H-indazol-7-amine

C14H14Cl2FN3 — CID 166229001

IUPACN-[(2,3-dichloro-4-fluorophenyl)methyl]-4,5,6,7-tetrahydro-1H-indazol-7-amine
SMILESFc1ccc(CNC2CCCc3cn[nH]c32)c(Cl)c1Cl
InChIInChI=1S/C14H14Cl2FN3/c15-12-8(4-5-10(17)13(12)16)6-18-11-3-1-2-9-7-19-20-14(9)11/h4-5,7,11,18H,1-3,6H2,(H,19,20)
InChIKeyKZUQHDCGGDZWGV-UHFFFAOYSA-N
MW314.19 g/mol
LogP4.02
Rot. Bonds3

About N-[(2,3-dichloro-4-fluorophenyl)methyl]-4,5,6,7-tetrahydro-1H-indazol-7-amine

N-[(2,3-dichloro-4-fluorophenyl)methyl]-4,5,6,7-tetrahydro-1H-indazol-7-amine (PubChem CID 166229001) has the molecular formula C14H14Cl2FN3 and a molecular weight of 314.19 g/mol. Its IUPAC name is N-[(2,3-dichloro-4-fluorophenyl)methyl]-4,5,6,7-tetrahydro-1H-indazol-7-amine.

Molecular Properties

Compound NameN-[(2,3-dichloro-4-fluorophenyl)methyl]-4,5,6,7-tetrahydro-1H-indazol-7-amine
PubChem CID166229001
Molecular FormulaC14H14Cl2FN3
Molecular Weight314.19 g/mol
Exact Mass313.05
IUPAC NameN-[(2,3-dichloro-4-fluorophenyl)methyl]-4,5,6,7-tetrahydro-1H-indazol-7-amine
SMILESFc1ccc(CNC2CCCc3cn[nH]c32)c(Cl)c1Cl
InChIInChI=1S/C14H14Cl2FN3/c15-12-8(4-5-10(17)13(12)16)6-18-11-3-1-2-9-7-19-20-14(9)11/h4-5,7,11,18H,1-3,6H2,(H,19,20)
InChIKeyKZUQHDCGGDZWGV-UHFFFAOYSA-N
XLogP4.02
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.19
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze N-[(2,3-dichloro-4-fluorophenyl)methyl]-4,5,6,7-tetrahydro-1H-indazol-7-amine with MolForge

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Related Compounds

(7S)-N-(3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethyl)-4,5,6,7-tetrahydro-1H-indazol-7-amine
CID 97321886
4-[(4,5,6,7-tetrahydro-1H-indazol-7-ylamino)methyl]benzoic acid
CID 122032052
2-(3-fluorophenyl)-N-(4,5,6,7-tetrahydro-1H-indazol-7-yl)acetamide
CID 118740682
1,3-bis(4,5,6,7-tetrahydro-1H-indazol-7-yl)urea
CID 155950298
N-[[3-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]-4,5,6,7-tetrahydro-1H-indazol-7-amine
CID 166245754
3-(4-fluorophenyl)-N-[(7R)-4,5,6,7-tetrahydro-1H-indazol-7-yl]propanamide
CID 97323769
1-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-3-(4,5,6,7-tetrahydro-1H-indazol-7-yl)urea
CID 167916039
2-(3-ethylphenyl)-N-(4,5,6,7-tetrahydro-1H-indazol-7-yl)acetamide
CID 154738802
(7R)-N-[(2R)-2-(4-chlorophenoxy)propyl]-4,5,6,7-tetrahydro-1H-indazole-7-carboxamide
CID 97087225
2-(cyclopropylmethylamino)-N-(4,5,6,7-tetrahydro-1H-indazol-7-yl)acetamide
CID 119787806
1-phenyl-3-[(7S)-4,5,6,7-tetrahydro-1H-indazol-7-yl]urea
CID 97228997
3-amino-3-phenyl-N-(4,5,6,7-tetrahydro-1H-indazol-7-yl)propanamide;hydrochloride
CID 119951600

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-dichloro-4-fluorophenyl)methyl]-4,5,6,7-tetrahydro-1H-indazol-7-amine?
The IUPAC name of N-[(2,3-dichloro-4-fluorophenyl)methyl]-4,5,6,7-tetrahydro-1H-indazol-7-amine (CID 166229001) is N-[(2,3-dichloro-4-fluorophenyl)methyl]-4,5,6,7-tetrahydro-1H-indazol-7-amine.
What is the SMILES notation for N-[(2,3-dichloro-4-fluorophenyl)methyl]-4,5,6,7-tetrahydro-1H-indazol-7-amine?
The canonical SMILES for N-[(2,3-dichloro-4-fluorophenyl)methyl]-4,5,6,7-tetrahydro-1H-indazol-7-amine is Fc1ccc(CNC2CCCc3cn[nH]c32)c(Cl)c1Cl.
What is the InChIKey of N-[(2,3-dichloro-4-fluorophenyl)methyl]-4,5,6,7-tetrahydro-1H-indazol-7-amine?
The InChIKey is KZUQHDCGGDZWGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2FN3/c15-12-8(4-5-10(17)13(12)16)6-18-11-3-1-2-9-7-19-20-14(9)11/h4-5,7,11,18H,1-3,6H2,(H,19,20).
What are the key properties of N-[(2,3-dichloro-4-fluorophenyl)methyl]-4,5,6,7-tetrahydro-1H-indazol-7-amine?
N-[(2,3-dichloro-4-fluorophenyl)methyl]-4,5,6,7-tetrahydro-1H-indazol-7-amine has a molecular weight of 314.19 g/mol, XLogP of 4.02, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-dichloro-4-fluorophenyl)methyl]-4,5,6,7-tetrahydro-1H-indazol-7-amine is sourced from PubChem (CID 166229001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).